UCSF

ZINC20010353

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 17 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.93 10.42 -38.88 2 1 1 17 234.407 9

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0546177A1; EP0546177B1; EP0623608A1; EP0632031A1; EP0632031B1; US5496853; US5574061 IBM Patent Data

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )